Basic information
- CAS
82846-54-6- Standard SMILES
CCN(CC)C(=S)SC1CCCN1N=O- InChIKey
DCEAHLIVXZOPKQ-UHFFFAOYSA-N- Molecular formula
- C9H17N3OS2
- Average molar mass
- 247.4 g/mol
- Monoisotopic mass
- 247.08130452
Names & identifiers
- Preferred name
- Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl ester
- IUPAC
- (1-nitrosopyrrolidin-2-yl) N,N-diethylcarbamodithioate
- English name
- N,N-diethyl-1-(1-nitrosopyrrolidin-2-yl)sulfanyl-methanethioamide
- Molecular formula
- C9H17N3OS2
- Molecular weight
- 247.38
Names & synonyms
82846-54-6Diethyldithiocarbamic acid 1-nitroso-2-pyrrolidinyl esterBRN 5025181CARBAMIC ACID, DIETHYLDITHIO-, 1-NITROSO-2-PYRROLIDINYL ESTER1-nitrosopyrrolidin-2-yl diethylcarbamodithioateDTXSID001002960N,N-diethyl-1-(1-nitrosopyrrolidin-2-yl)sulfanyl-methanethioamideCarbamodithioic acid, diethyl-, 1-nitroso-2-pyrrolidinyl ester (9CI)
Database identifiers
- CAS
82846-54-6- PubChem CID
- 54928
- DTXSID
DTXSID001002960- Nikkaji
- J67.570I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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